N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H19ClF3N5O2 — CID 169106070

IUPACN-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@@H]1COCc2c1cnn2-c1cccc(C(F)(F)F)c1Cl)c1ncn2c1CCCC2
InChIInChI=1S/C21H19ClF3N5O2/c22-18-13(21(23,24)25)4-3-6-15(18)30-17-10-32-9-14(12(17)8-27-30)28-20(31)19-16-5-1-2-7-29(16)11-26-19/h3-4,6,8,11,14H,1-2,5,7,9-10H2,(H,28,31)/t14-/m1/s1
InChIKeyDOSNEEHLTCTSQN-CQSZACIVSA-N
MW465.86 g/mol
LogP4.08
Rot. Bonds3

About N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 169106070) has the molecular formula C21H19ClF3N5O2 and a molecular weight of 465.86 g/mol. Its IUPAC name is N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID169106070
Molecular FormulaC21H19ClF3N5O2
Molecular Weight465.86 g/mol
Exact Mass465.12
IUPAC NameN-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(N[C@@H]1COCc2c1cnn2-c1cccc(C(F)(F)F)c1Cl)c1ncn2c1CCCC2
InChIInChI=1S/C21H19ClF3N5O2/c22-18-13(21(23,24)25)4-3-6-15(18)30-17-10-32-9-14(12(17)8-27-30)28-20(31)19-16-5-1-2-7-29(16)11-26-19/h3-4,6,8,11,14H,1-2,5,7,9-10H2,(H,28,31)/t14-/m1/s1
InChIKeyDOSNEEHLTCTSQN-CQSZACIVSA-N
XLogP4.08
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 169106070) is N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(N[C@@H]1COCc2c1cnn2-c1cccc(C(F)(F)F)c1Cl)c1ncn2c1CCCC2.
What is the InChIKey of N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is DOSNEEHLTCTSQN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19ClF3N5O2/c22-18-13(21(23,24)25)4-3-6-15(18)30-17-10-32-9-14(12(17)8-27-30)28-20(31)19-16-5-1-2-7-29(16)11-26-19/h3-4,6,8,11,14H,1-2,5,7,9-10H2,(H,28,31)/t14-/m1/s1.
What are the key properties of N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 465.86 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 169106070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).